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Article Dans Une Revue ACS Sustainable Chemistry & Engineering Année : 2021

Non-Ideality in Thymol + Menthol Type V Deep Eutectic Solvents


The nonionic Type V deep eutectic solvent (DESs) thymol + menthol is experimentally and computationally studied aiming to clarify the relation between its liquid phase structure andits thermodynamic nonideality. 1H NMR, Raman, and X-ray scattering analysis of the thymol + menthol system, supported by molecular dynamics simulations, show complex intermolecularinteractions dominated by sterically hindered H-bonded clusters. For temperatures greater than or equal to room temperature, a quasi-linear evolution of the eutectic system properties between the pure compounds is observed, suggesting the absence of a magic stoichiometric composition in the eutectic solvent. However, temperature dependent Raman spectroscopy indicates a notable increase in thymol−menthol H-bonding as temperatures approach the eutectic point. This study shows that nonionic Type V DESs present an important temperature-dependent nonideality originating from the change in the intermolecular H-bonding withtemperature. These findings have significant implications for the design and growing application of Type V DESs.
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Dates et versions

hal-03548119 , version 1 (29-01-2022)



Nicolas Schaeffer, Dinis O. Abranches, Liliana P. Silva, Mónia A.R. Martins, Pedro J. Carvalho, et al.. Non-Ideality in Thymol + Menthol Type V Deep Eutectic Solvents. ACS Sustainable Chemistry & Engineering, 2021, ACS Sustainable Chemistry & Engineering, 9 (5), pp.2203-2211. ⟨10.1021/acssuschemeng.0c07874⟩. ⟨hal-03548119⟩
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